Molecule

ID:121297

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c1-6(2)7-5-8(9(12)13-4)11(3)10-7/h5-6H,1-4H3
InChIKey
DDMYKWUXXMPUNY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(nn1C)C(C)C
Isomeric Smiles
c1(n(nc(c1)C(C)C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6994461
LogD (pH = 7.4)
1.6994759
Log P
1.6994762
Molar Refractivity
60.6571
Polarizability
18.796463
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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